2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid

C10H10F3NO4S — CID 2777710

IUPAC2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
SMILESCC(NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)O
InChIInChI=1S/C10H10F3NO4S/c1-6(9(15)16)14-19(17,18)8-4-2-3-7(5-8)10(11,12)13/h2-6,14H,1H3,(H,15,16)
InChIKeyOZVPEEXYQQFKJL-UHFFFAOYSA-N
MW297.25 g/mol
LogP1.46
Rot. Bonds4

About 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid

2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid (PubChem CID 2777710) has the molecular formula C10H10F3NO4S and a molecular weight of 297.25 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
PubChem CID2777710
Molecular FormulaC10H10F3NO4S
Molecular Weight297.25 g/mol
Exact Mass297.03
IUPAC Name2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
SMILESCC(NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)O
InChIInChI=1S/C10H10F3NO4S/c1-6(9(15)16)14-19(17,18)8-4-2-3-7(5-8)10(11,12)13/h2-6,14H,1H3,(H,15,16)
InChIKeyOZVPEEXYQQFKJL-UHFFFAOYSA-N
XLogP1.46
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.25
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid?
The IUPAC name of 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid (CID 2777710) is 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid.
What is the SMILES notation for 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid?
The canonical SMILES for 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid is CC(NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)O.
What is the InChIKey of 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid?
The InChIKey is OZVPEEXYQQFKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO4S/c1-6(9(15)16)14-19(17,18)8-4-2-3-7(5-8)10(11,12)13/h2-6,14H,1H3,(H,15,16).
What are the key properties of 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid?
2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid has a molecular weight of 297.25 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid is sourced from PubChem (CID 2777710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).